4-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C27H30N5O2+ MolecularWeight: 456.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)OC)OC

InChI

InChI=1S/C27H29N5O2/c1-19-15-24(33-2)25(34-3)16-21(19)18-31-11-13-32(14-12-31)27-22-8-4-5-9-23(22)29-26(30-27)20-7-6-10-28-17-20/h4-10,15-17H,11-14,18H2,1-3H3/p+1